SCHEMBL17530379

SCHEMBL17530379

COc1cc(N2CCNCC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc(N)c2)n1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.82
▸ EGFR P00533 13/20 0.70
▸ GAK O14976 1/20 0.62
▸ FES P07332 1/20 0.62
▸ FER P16591 1/20 0.62
▸ ERBB3 P21860 1/20 0.62
▸ TEC P42680 1/20 0.62
▸ CLK1 P49759 1/20 0.62
▸ JAK3 P52333 1/20 0.62
▸ PTK2 Q05397 1/20 0.62
▸ BTK Q06187 1/20 0.62
▸ TNK1 Q13470 1/20 0.62
▸ ULK1 O75385 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16752965 0.90 ALK (1.00) ALKEGFRULK1
SCHEMBL17531020 0.87 ALK (0.83) ALKEGFRGAKFESFER
SCHEMBL30221574 0.85 ALK (0.82) ALKEGFRGAKFESFER
SCHEMBL28584782 0.84 EGFR (0.79) ALKEGFRGAKFESFER
SCHEMBL16752944 0.83 ALK (1.00) ALK
SCHEMBL16752967 0.83 ALK (1.00) ALK
SCHEMBL21846968 0.82 EGFR (1.00) ALKEGFR
SCHEMBL29832366 0.82 EGFR (1.00) ALKEGFR
SCHEMBL26612049 0.80 ALK (0.75) ALKEGFRPTK2ULK1
SCHEMBL26161575 0.80 ALK (0.85) ALKEGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029002-A2 GROWTH FACTOR RECEPTOR INHIBITORS CLOVIS ONCOLOGY, INC. (US) 2016-02-25 — — WO disclosed
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